N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C20H23ClFN4O3+ MolecularWeight: 421.873023

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=C(C=CC=C3Cl)F)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=C(C=CC=C3Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClFN4O3/c1-23-8-10-25(11-9-23)18-7-6-14(12-19(18)26(28)29)20(27)24(2)13-15-16(21)4-3-5-17(15)22/h3-7,12H,8-11,13H2,1-2H3/p+1